⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13299287 | 1.00 | — | — | |
| SCHEMBL27859503 | 0.85 | SIGMAR1 (0.35) | — | |
| SCHEMBL13993532 | 0.75 | CA12 (0.40) | — | |
| SCHEMBL22894093 | 0.75 | KDM1A (0.38) | — | |
| SCHEMBL5525764 | 0.75 | KDM1A (0.38) | — | |
| SCHEMBL244973 | 0.75 | — | — | |
| SCHEMBL23510728 | 0.74 | NOS1 (0.32) | — | |
| SCHEMBL23134387 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL3225990 | 0.72 | CA12 (0.30) | — | |
| SCHEMBL18756522 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10711036-B2 | MALT1 inhibitors and uses thereof | CORNELL UNIVERSITY (US) | 2020-07-14 | — | — | US | disclosed |
| US-20080318957-A1 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2008-12-25 | — | — | US | disclosed |